Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.62 |
| ▸ | S1PR5 | Q9H228 | 11/20 | 0.62 |
| ▸ | S1PR3 | Q99500 | 10/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12600665 | 0.85 | S1PR1 (0.65) | S1PR1S1PR5S1PR3 | |
| SCHEMBL2006447 | 0.83 | S1PR1 (0.56) | S1PR1S1PR5S1PR3CYP3A4CYP2C9 | |
| SCHEMBL1981109 | 0.80 | S1PR1 (0.56) | S1PR1S1PR5S1PR3CYP3A4CYP2C9 | |
| SCHEMBL1842407 | 0.79 | S1PR1 (0.61) | S1PR1S1PR5S1PR3 | |
| SCHEMBL1398445 | 0.79 | S1PR1 (0.60) | S1PR1S1PR5S1PR3KCNH2 | |
| SCHEMBL1982912 | 0.78 | S1PR1 (0.64) | S1PR1S1PR5S1PR3CYP2C9 | |
| SCHEMBL4043518 | 0.77 | S1PR1 (1.00) | S1PR1S1PR5S1PR3 | |
| SCHEMBL12601142 | 0.77 | S1PR1 (0.61) | S1PR1S1PR5S1PR3CYP2C9 | |
| SCHEMBL12600269 | 0.77 | S1PR1 (0.61) | S1PR1S1PR5S1PR3 | |
| SCHEMBL1398414 | 0.77 | S1PR1 (0.67) | S1PR1S1PR5S1PR3KCNH2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2513095-A1 | OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS | Glaxo Group Limited (GB) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011072488-A1 | OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2011-06-23 | — | — | WO | disclosed |